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Compound Detail

CHEMBL172765

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CCCc1nc(C(F)(F)F)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL172765
Phase Preclinical
Structure Type MOL
InChI Key YCFSSPDZKMPHPS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
4.76
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21F3N2O3
MW 418.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 130.0 nM 6.89 Angiotensin II receptor antagonist activity was determined by 50% inhibition of ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80688-5 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine